CID 131820134

Pe-nme(15:0/18:0)

Structural Information

Molecular Formula
C39H78NO8P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCNC
InChI
InChI=1S/C39H78NO8P/c1-4-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40-3)35-45-38(41)31-29-27-25-23-21-17-15-13-11-9-7-5-2/h37,40H,4-36H2,1-3H3,(H,43,44)
InChIKey
MFGIDZGYNXYTEZ-UHFFFAOYSA-N
Compound name
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

719.5465 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 720.55378 282.3
[M+Na]+ 742.53572 284.8
[M+NH4]+ 737.58032 287.4
[M+K]+ 758.50966 285.0
[M-H]- 718.53922 271.7
[M+Na-2H]- 740.52117 281.2
[M]+ 719.54595 280.7
[M]- 719.54705 280.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.